Molecule

ID:130835

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₇
Molecular Mass
198.17116
Exact Mass
198.07395279
Charge
0
InChI
InChI=1S/C6H12O6.H2O/c7-1-3(9)5(11)6(12)4(10)2-8;/h1,3-6,8-12H,2H2;1H2/t3-,4+,5+,6+;/m0./s1
InChIKey
SPFMQWBKVUQXJV-BTVCFUMJSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O.O
Isomeric Smiles
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.O
Calculated Properties
JChem
Acid pKa
11.800943
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-3.5683608
LogD (pH = 7.4)
-3.5683777
Log P
-3.5683606
Molar Refractivity
37.3456
Polarizability
15.251392
Polar Surface Area
118.22
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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